6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one

C17H17N3O5 — CID 7663844

IUPAC6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)N1CCOCC1
InChIInChI=1S/C17H17N3O5/c21-16-4-2-13(12-1-3-14-15(9-12)25-11-24-14)18-20(16)10-17(22)19-5-7-23-8-6-19/h1-4,9H,5-8,10-11H2
InChIKeyVLXNEPVEQBSGRD-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.50
Rot. Bonds3

About 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one

6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (PubChem CID 7663844) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
PubChem CID7663844
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)N1CCOCC1
InChIInChI=1S/C17H17N3O5/c21-16-4-2-13(12-1-3-14-15(9-12)25-11-24-14)18-20(16)10-17(22)19-5-7-23-8-6-19/h1-4,9H,5-8,10-11H2
InChIKeyVLXNEPVEQBSGRD-UHFFFAOYSA-N
XLogP0.50
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]acetate
CID 7663589
6-(1,3-benzodioxol-5-yl)-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one
CID 121051227
2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one
CID 7665412
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N,N-dibenzylacetamide
CID 121051210
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051181
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 121051243
6-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671973
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376457
6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 7664039
6-(1,3-benzodioxol-5-yl)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
CID 7663925
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 121051298

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (CID 7663844) is 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one is O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)N1CCOCC1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The InChIKey is VLXNEPVEQBSGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-16-4-2-13(12-1-3-14-15(9-12)25-11-24-14)18-20(16)10-17(22)19-5-7-23-8-6-19/h1-4,9H,5-8,10-11H2.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one has a molecular weight of 343.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one is sourced from PubChem (CID 7663844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).